기본 정보
- CAS
51461-71-3- 표준 SMILES
COC(CN(C)C(=O)Nc1nnc(C(C)(C)C)s1)OC- InChIKey
JEBBYIJCXLFPCX-UHFFFAOYSA-N- 분자식
- C12H22N4O3S
- 평균 분자량
- 302.4 g/mol
- 단동위원소 질량
- 302.14126175
이름 및 식별자
- 우선 이름
- N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea
- IUPAC
- 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethoxyethyl)-1-methylurea
- 영어명
- 1-(2,2-dimethoxyethyl)-1-methyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea
- 분자식
- C12H22N4O3S
- 분자량
- 302.39
이름 및 동의어
51461-71-3N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylureaDTXSID0074051N-(2,2-Dimethoxyethyl)-N'-(5-(1,1-dimethylethyl)-1,3,4-thiadiazole-2-yl)-N-methylureaUrea, N-(2,2-dimethoxyethyl)-N'-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N-methyl-Urea, N-(2,2-dimethoxyethyl)-N'-(5-(1,1-dimethylethyl)-1,3,4-thiadiazole-2-yl)-N-methyl-N'-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-N-(2,2-dimethoxyethyl)-N-methylurea1-(2,2-dimethoxyethyl)-1-methyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)ureaUrea, N-(2,2-dimethoxyethyl)-N'-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-
데이터베이스 식별자
- CAS
51461-71-3- PubChem CID
- 40020
- DTXSID
DTXSID0074051- Nikkaji
- J1.619.771H
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 320
물리화학적 성질
- EPA
- N-(2,2-Dimethoxyethyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylurea (51461-71-3)
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